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CAS No.: | 54323-50-1 |
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Name: | N-Acetyl-L-thioproline |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C6H9NO3S |
Molecular Weight: | 175.208 |
Synonyms: | 4-Thiazolidinecarboxylicacid, 3-acetyl-, (R)-;(R)-3-Acetylthiazolidine-4-carboxylic acid;N-Acetyl-L-thiaproline;4-Thiazolidinecarboxylicacid, 3-acetyl-, (4R)-; |
EINECS: | 259-102-0 |
Density: | 1.427 g/cm3 |
Melting Point: | 143-145℃ |
Boiling Point: | 439 °C at 760 mmHg |
Flash Point: | 219.3 °C |
Appearance: | White crystals or crystalline powder |
PSA: | 89.70000 |
LogP: | -0.00040 |
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1. Introduction of N-Acetyl-L-thioproline
N-Acetyl-L-thioproline, with the chemical name of (R)-3-Acetyl-1,3-thiazolidine-4-carboxylic acid, is one kind of white crystals or crystalline powder. This chemical belongs to the Product Categories which include Chiral Reagents;Heterocycles;Sulfur & Selenium Compounds. Besides, there are some detailed information: Storage: storage in shady and cool warehouse; Transportation: transport as the regulation of chemicals; Application: food nutrition ingredient.
2. Properties of N-Acetyl-L-thioproline
N-Acetyl-L-thioproline has the following property datas: Other characteristics of the N-Acetyl-L-thioproline can be summarised as followings: (1)ACD/LogP: -0.59; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 71.91 Å2; (11)Index of Refraction: 1.58; (12)Molar Refractivity: 40.87 cm3; (13)Molar Volume: 122.7 cm3; (14)Polarizability: 16.2×10-24cm3; (15)Surface Tension: 62.1 dyne/cm; (16)Density: 1.427 g/cm3; (17)Flash Point: 219.3 °C; (18)Enthalpy of Vaporization: 76.29 kJ/mol; (19)Boiling Point: 439 °C at 760 mmHg; (20)Vapour Pressure: 6.21E-09 mmHg at 25°C.
3. Structure Descriptors of N-Acetyl-L-thioproline
You could convert the following datas into the molecular structure:
1.SMILES: O=C(O)[C@H]1N(C(=O)C)CSC1
2.InChI: InChI=1/C6H9NO3S/c1-4(8)7-3-11-2-5(7)6(9)10/h5H,2-3H2,1H3,(H,9,10)/t5-/m0/s1
3.InChIKey: WXTBYSIPOKXCPM-YFKPBYRVBD